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138327-81-8 | 2(1H)-Pyrimidinone, 5-[[5-(hydroxymethyl)-2-furanyl]carbonyl]-
CAS No: 138327-81-8 Catalog No: AG0018JS MDL No:
Product Description
Catalog Number:
AG0018JS
Chemical Name:
2(1H)-Pyrimidinone, 5-[[5-(hydroxymethyl)-2-furanyl]carbonyl]-
CAS Number:
138327-81-8
Molecular Formula:
C10H8N2O4
Molecular Weight:
220.1815
IUPAC Name:
5-[5-(hydroxymethyl)furan-2-carbonyl]-1H-pyrimidin-2-one
InChI:
InChI=1S/C10H8N2O4/c13-5-7-1-2-8(16-7)9(14)6-3-11-10(15)12-4-6/h1-4,13H,5H2,(H,11,12,15)
InChI Key:
OWBACRACPRJRRF-UHFFFAOYSA-N
SMILES:
OCc1ccc(o1)C(=O)c1cnc(=O)[nH]c1
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.184g/mol
Monoisotopic Mass:
220.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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